ATOM 28
1 N5x N 17.7609 -14.0441
2 C8y C 17.7609 -12.6460
3 C8y C 16.5724 -11.9469
4 C8x C 15.3141 -12.6460
5 C8x C 15.3141 -14.0441
6 C8x C 16.5724 -14.7432
7 C6a C 16.5724 -10.5487
8 O6a O 15.3141 -9.8497
9 O6a O 17.7609 -9.8497
10 N1b N 18.9493 -11.9469
11 C8y C 20.2076 -12.6460
12 C8x C 20.2076 -14.0441
13 C8x C 21.3961 -14.7432
14 C8x C 22.5845 -14.0441
15 C8y C 22.5845 -12.6460
16 C8y C 21.3961 -11.9469
17 C1a C 21.3961 -10.5487
18 X Cl 23.8428 -11.9469
19 C1c C 28.5600 -12.0400
20 C1b C 29.7500 -11.3400
21 C6a C 27.3700 -11.2700
22 N1a N 28.5600 -13.4400
23 C1b C 30.9400 -12.0400
24 O6a O 26.1800 -11.9700
25 O6a O 27.3700 -9.8700
26 C1b C 32.2000 -11.3400
27 C1b C 33.3900 -12.1100
28 N1a N 34.6500 -11.4100
BOND 28
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 3 7 1
8 7 8 2
9 7 9 1
10 2 10 1
11 10 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 11 16 2
18 16 17 1
19 15 18 1
20 19 20 1
21 19 21 1
22 19 22 1 #Down
23 20 23 1
24 21 24 1
25 21 25 2
26 23 26 1
27 26 27 1
28 27 28 1
|